| 三电子原子体系基态能量的关联变分计算 |
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| 引用本文： | 范文慧,王曼英.三电子原子体系基态能量的关联变分计算[J].西安交通大学学报,1995,29(2):107-111. |
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| 作者姓名： | 范文慧 王曼英 |
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| 摘 要： | 用形式上比较简单的径向关联波函数计算了三电子原子体系Ｌｉ、Ｂｅ＋、Ｂ２＋和Ｃ３＋的基态能量，对于Ｌｉ原子，其结果为－２０２．５８７６ｅＶ，比用Ｈａｒｔｒｅｅ－Ｆｏｃｋ自洽场方法得到的最好结果－２０２．２５５６ｅＶ和苟清泉等人用他们设计的原子解析波函数计算得到的结果－２０２．３４５ｅＶ均好，更接近实验值－２０３．４８８３ｅＶ。
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| 关 键 词： | 三电子原子体系 基态能量 径向关联 变分法 |
CALCULATION WITH RADIAL-CORRELATED WAVEFUNCTION FOR THREE-ELECTRON ATOMS |
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| Fan Wenhui,Wang Manying,Wang Yongchang.CALCULATION WITH RADIAL-CORRELATED WAVEFUNCTION FOR THREE-ELECTRON ATOMS[J].Journal of Xi'an Jiaotong University,1995,29(2):107-111. |
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| Authors: | Fan Wenhui Wang Manying Wang Yongchang |
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| Institution: | School of Science |
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| Abstract: | n this paper.the energies for the ground state of a three-electron atoms Li,Be ,B2 andC3 are calculated with a five-parameter radialcorrelated wavefunction by using the variation-al method. For the atom Li,the present result is-202.5876 eV,which is much better thanthe best result-202.2556 eV calculated by H-F SCF method and closer to the experimentalvalue-203.4883 V. |
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| Keywords: | three-electron atoms system energy of ground state radial correlation variation-al method |
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